SCHEMBL19854980

SCHEMBL19854980

C#C[C@H](CCCC(C)C)[C@H]1CC[C@H]2C3CCC4C[C@@H](OCCOC(=O)C(=C)CO)CC[C@]4(C)C3CC[C@]12C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 4/20 0.55
▸ POLA1 P09884 1/20 0.55
▸ FOLH1 Q04609 2/20 0.47
▸ VDR P11473 3/20 0.45
▸ USP2 O75604 1/20 0.45
▸ ST6GAL1 P15907 1/20 0.44
▸ ABCC4 O15439 1/20 0.44
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ INPP5D Q92835 1/20 0.43
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19722249 0.90 CDC25A (0.69) CDC25APOLA1FOLH1VDRUSP2
SCHEMBL21298936 0.90 CDC25A (0.69) CDC25APOLA1FOLH1VDRUSP2
SCHEMBL19854979 0.83 CDC25A (0.53) CDC25APOLA1VDRUSP2ST6GAL1
SCHEMBL19854976 0.82 CDC25A (0.53) CDC25APOLA1VDRUSP2ST6GAL1
SCHEMBL19853977 0.82 CDC25A (0.55) CDC25APOLA1FOLH1VDRUSP2
SCHEMBL19721931 0.81 CDC25A (0.53) CDC25APOLA1VDRUSP2ST6GAL1
SCHEMBL19722604 0.81 CDC25A (0.66) CDC25APOLA1FOLH1VDRUSP2
SCHEMBL21322100 0.81 CDC25A (0.66) CDC25APOLA1FOLH1VDRUSP2
SCHEMBL21298981 0.81 CDC25A (0.66) CDC25APOLA1FOLH1VDRUSP2
SCHEMBL19755104 0.81 CDC25A (0.66) CDC25APOLA1FOLH1VDRUSP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018025974-A1 LIQUID-CRYSTAL DISPLAY ELEMENT AND DISPLAY DEVICE JNC株式会社 2018-02-08 — — WO disclosed
Send feedback